Theory and Simulation of the Structure and Dynamical Properties of Electronic Materials.

Abstract

During the course of this grant, research focused on using available theoretical tools to explore and elucidate complex dynamics of impurities in Si. In particular, we studied clustering of As in heavily doped Si, segregation of As in Si grain boundaries and the migration of oxygen in Si. In addition we carried out atomic scale nonequilibruim heat flow simulations and mesoscopic calculations of void growth in polycrystalline metal lines.

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Document Details

Document Type
Technical Report
Publication Date
May 27, 1997
Accession Number
ADA326278

Entities

People

  • Sokrates T. Pantelides

Organizations

  • Vanderbilt University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Crystal Structure
  • Crystals
  • Density Functional Theory
  • Dynamics
  • Energy Bands
  • First Principles Calculations
  • Heat Transmission
  • Materials
  • Materials Science
  • Molecular Dynamics
  • Physics
  • Polycrystals
  • Semiconductors
  • Simulations
  • Temperature Gradients
  • Three Dimensional
  • Two Dimensional

Readers

  • Computational Fluid Dynamics (CFD)
  • Semiconductor Device Technology
  • Thin Film Deposition Science.

Technology Areas

  • Microelectronics